![5-{[4-(Methylsulfanyl)benzylidene]amino}-2,3-dihydro-1,4-phthalazinedione structure](/static/products/303/303758-46-5.png)
5-{[4-(Methylsulfanyl)benzylidene]amino}-2,3-dihydro-1,4-phthalazinedione
TL;DR: 5-{[4-(Methylsulfanyl)benzylidene]amino}-2,3-dihydro-1,4-phthalazinedione (CAS 303758-46-5) is a chemical compound with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-methylsulfanylphenyl)methylideneamino]-2,3-dihydrophthalazine-1,4-dione
Also Known As: AN-329/10001038, 5-{[4-(methylsulfanyl)benzylidene]amino}-2,3-dihydro-1,4-phthalazinedione, 5-[(4-methylsulfanylphenyl)methylideneamino]-2,3-dihydrophthalazine-1,4-dione, 5-({(1E)-[4-(methylthio)phenyl]methylene}amino)-2,3-dihydrophthalazine-1,4-dione, 4-hydroxy-5-[(E)-{[4-(methylsulfanyl)phenyl]methylidene}amino]-2H-phthalazin-1-one
| Molecular Formula | C16H13N3O2S |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.07285 |
| Heavy Atoms | 22 |
| Complexity | 460.0 |
Chemical Identifiers
| CAS Number | 303758-46-5 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C=NC2=CC=CC3=C2C(=O)NNC3=O |
| InChIKey | GQOXIGMPMSRGPP-UHFFFAOYSA-N |
Product Overview
5-{[4-(Methylsulfanyl)benzylidene]amino}-2,3-dihydro-1,4-phthalazinedione (CAS 303758-46-5), with molecular formula C16H13N3O2S and molecular weight 311.07 g/mol. IUPAC: 5-[(4-methylsulfanylphenyl)methylideneamino]-2,3-dihydrophthalazine-1,4-dione.
Chemical Property Profile of 5-{[4-(Methylsulfanyl)benzylidene]amino}-2,3-dihydro-1,4-phthalazinedione
Property Insights of 5-{[4-(Methylsulfanyl)benzylidene]amino}-2,3-dihydro-1,4-phthalazinedione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-{[4-(Methylsulfanyl)benzylidene]amino}-2,3-dihydro-1,4-phthalazinedione. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-{[4-(Methylsulfanyl)benzylidene]amino}-2,3-dihydro-1,4-phthalazinedione. Following Lipinski's Rule of Five, 5-{[4-(Methylsulfanyl)benzylidene]amino}-2,3-dihydro-1,4-phthalazinedione has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-{[4-(Methylsulfanyl)benzylidene]amino}-2,3-dihydro-1,4-phthalazinedione?
The CAS number of 5-{[4-(Methylsulfanyl)benzylidene]amino}-2,3-dihydro-1,4-phthalazinedione is 303758-46-5.
What is the molecular formula of 5-{[4-(Methylsulfanyl)benzylidene]amino}-2,3-dihydro-1,4-phthalazinedione?
The molecular formula of 5-{[4-(Methylsulfanyl)benzylidene]amino}-2,3-dihydro-1,4-phthalazinedione is C16H13N3O2S.
What is the molecular weight of 5-{[4-(Methylsulfanyl)benzylidene]amino}-2,3-dihydro-1,4-phthalazinedione?
The molecular weight of 5-{[4-(Methylsulfanyl)benzylidene]amino}-2,3-dihydro-1,4-phthalazinedione is 311.07 g/mol.
Where can I buy 5-{[4-(Methylsulfanyl)benzylidene]amino}-2,3-dihydro-1,4-phthalazinedione?
You can request a quote for 5-{[4-(Methylsulfanyl)benzylidene]amino}-2,3-dihydro-1,4-phthalazinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-{[4-(Methylsulfanyl)benzylidene]amino}-2,3-dihydro-1,4-phthalazinedione?
Yes, KEHONG BIO provides custom synthesis services for 5-{[4-(Methylsulfanyl)benzylidene]amino}-2,3-dihydro-1,4-phthalazinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.